N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine

C13H14ClN3 — CID 60870794

IUPACN-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
SMILESCC(Nc1ccc(Cl)cn1)c1ccc(N)cc1
InChIInChI=1S/C13H14ClN3/c1-9(10-2-5-12(15)6-3-10)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17)
InChIKeyLXIBQXQFPFHHBT-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine

N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine (PubChem CID 60870794) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
PubChem CID60870794
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
SMILESCC(Nc1ccc(Cl)cn1)c1ccc(N)cc1
InChIInChI=1S/C13H14ClN3/c1-9(10-2-5-12(15)6-3-10)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17)
InChIKeyLXIBQXQFPFHHBT-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788
5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-nitropyridin-2-amine
CID 116650583
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine (CID 60870794) is N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine is CC(Nc1ccc(Cl)cn1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine?
The InChIKey is LXIBQXQFPFHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(10-2-5-12(15)6-3-10)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine?
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 60870794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).